256894

Source:http://linkedlifedata.com/resource/chembl/compound/256894

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17-2)11-8(15)5(10)3-6(13)14/h4-5,7,12H,3,10H2,1-2H3,(H,11,15)(H,13,14)/t4?,5-,7+/m1/s1
chemicalCompound:standardIn...	AQPAHBCOAMAPBN-POZMTGOASA-N
chemicalCompound:canonicalS...	COC(=O)[C@@H](NC(=O)[C@H](N)CC(=O)O)C(C)O
chemicalCompound:molecularF...	C9 H16 N2 O6
chemicalCompound:moleculeId	256894
chemicalCompound:mwFreebase	248.233
chemicalCompound:alogp	-4.521
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	138.95
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.699
chemicalCompound:acdLogP	-1.229
chemicalCompound:acdLogD	-4.026
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	248.233
chemicalCompound:acdMostBpk...	7.469
chemicalCompound:chemblId	CHEMBL157287
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:356894
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:31945, activity:42775